SCHEMBL7543828

SCHEMBL7543828

Cc1cn([C@]2(F)O[C@H](CO)CC2(F)F)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALB P02768 2/20 0.42
BLM P54132 2/20 0.42
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.42
TK1 P04183 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP2D6 P10635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30841853 0.79 ALDH1A1 (0.41) LMNAALDH1A1ALBBLMPOLB
SCHEMBL339966 0.79 ALDH1A1 (0.41) LMNAALDH1A1ALBBLMPOLB
SCHEMBL28129115 0.77 TK1 (0.43) LMNAALDH1A1ALBBLMPOLB
SCHEMBL3477 0.77 TK1 (0.43) LMNAALDH1A1ALBBLMPOLB
SCHEMBL28765909 0.77 LMNA (0.42) LMNAALDH1A1ALBBLMPOLB
SCHEMBL2294 0.77 TK1 (0.43) LMNAALDH1A1ALBBLMPOLB
SCHEMBL29943756 0.77 TK1 (0.43) LMNAALDH1A1ALBBLMPOLB
Hydrochloric Acid SCHEMBL28100272 0.76 TK1 (0.42) LMNAALDH1A1ALBBLMPOLB
SCHEMBL2012504 0.74 ALDH1A1 (0.43) LMNAALDH1A1ALBBLMPOLB
SCHEMBL6830454 0.74 TK1 (0.43) LMNAALDH1A1ALBBLMPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126085-A1 CELL DIFFERENTIATION BASED UPON PARTICLE UPTAKE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-11-28 EP claimed
WO-1984000815-A1 CELL DIFFERENTIATION BASED UPON PARTICLE UPTAKE MASSACHUSETTS INST TECHNOLOGY (US) 1984-03-01 WO claimed
EP-0149040-B2 Modified live pseudorabies viruses, vaccines for pseudorabies disease containing same, methods for production of same and methods for use of same NOVAGENE INC (US) 2002-05-22 EP disclosed
US-5935829-A DETERMINING MUTAGENICITY OF COMPOUNDS BY EXPOSING HUMAN LYMPHOBLASTOID CELL LINE TO CHEMICAL REQUIRING ACTIVATION BY OXIDATIVE ENZYMES, CULTURING CELLS, DETECTING NUMBER OF MUTANT CELLS, COMPARING FREQUENCY OF MUTATION TO CONTROLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-08-10 US disclosed
US-5429948-A Human cell line stably expressing 5cDNAS encoding procarcinogen-activating enzymes and related mutagenicity assays GENTEST CORPORATION (US) 1995-07-04 US disclosed
EP-0149040-B1 MODIFIED LIVE PSEUDORABIES VIRUSES, VACCINES FOR PSEUDORABIES DISEASE CONTAINING SAME, METHODS FOR PRODUCTION OF SAME AND METHODS FOR USE OF SAME NOVAGENE, INC. (US) 1993-06-09 EP disclosed
EP-0113769-B1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-02-15 EP disclosed
US-4609548-A NON-PRODUCERS OF THYMIDINE KINASE; VETERINARY MEDICINE NOVAGENE, LTD. (US) 1986-09-02 US disclosed
US-4532204-A Exposing culture of AHH-1 cells to substance, comparing frequency of mutation to that of unexposed cells to determine mutagenicity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1985-07-30 US disclosed
EP-0149040-A2 Modified live pseudorabies viruses, vaccines for pseudorabies disease containing same, methods for production of same and methods for use of same NOVAGENE, INC. (US) 1985-07-24 EP disclosed
US-4514497-A DO NOT PRODUCE THYMIDINE KINASE- TEMPERATURE RESISTANCE NOVAGENE, LTD. (US) 1985-04-30 US disclosed
EP-0113769-A1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES. MASSACHUSETTS INST TECHNOLOGY (US) 1984-07-25 EP disclosed
WO-1984000379-A1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES MASSACHUSETTS INST TECHNOLOGY (US) 1984-02-02 WO disclosed