SCHEMBL8574580

SCHEMBL8574580

Cc1ccc(S(=O)(=O)NCCCCCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 13/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 1/20 0.58
TBXA2R P21731 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
CA12 O43570 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8577697 0.99 RAB9A (0.64) RAB9AALDH1A1LMNAHTTTBXA2R
SCHEMBL27245265 0.87 LMNA (0.59) RAB9AALDH1A1LMNATBXA2RHDAC1
SCHEMBL19743611 0.87 LMNA (0.57) RAB9AALDH1A1LMNAHTTNPSR1
SCHEMBL13426068 0.86 RAB9A (0.62) RAB9AALDH1A1LMNAHTTNPSR1
SCHEMBL11630036 0.85 ALDH1A1 (0.70) RAB9AALDH1A1LMNAHTTTBXA2R
SCHEMBL11626070 0.83 ALDH1A1 (0.68) RAB9AALDH1A1LMNAHTTTBXA2R
SCHEMBL8663048 0.83 ALDH1A1 (0.70) RAB9AALDH1A1LMNACA12CYP1A2
SCHEMBL13223680 0.82 ALDH1A1 (0.69) RAB9AALDH1A1LMNAHTTNPSR1
SCHEMBL19078974 0.82 ALDH1A1 (0.69) RAB9AALDH1A1LMNAHTTNPSR1
SCHEMBL13679937 0.82 ALDH1A1 (0.58) RAB9AALDH1A1LMNAHTTNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783699-A MAY BE CONJUGATED TO ANTIGENS, HAPTENS, ANTIBODIES IN IMMUNOASSAYS ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5669819-A IMMUNOASSAY ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5565570-A REACTING AMINE WITH SULFONYL HALIDE IN INERT SOLVENT IN PRESENCE OF BASE TO FORM METAL SALT OF SULFONAMIDE, ACYLATING WITH ACTIVATED PHENANTHRIDINE-6-CARBOXYLIC ACID TO FORM CHEMILUMINESCENT SALT ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
US-5545739-A E.G., 5-METHYL-6-(N-2-CARBOXYETHYL-N=(2-CARBOXYETHYL)-PHENANTHRIDIN IUMCARBOXAMIDE CHLORIDE; IMMUNOASSAYS; STABILITY; SENSITIVITY ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5543524-A FORMING A SULFONAMIDE FROM AND AMINE AND A SULFONYL HALIDE AND AND ACYLATING WITH A CARBONYL HALIDE OF AN ACTIVATED ACRIDINE SALT ABBOTT LABORATORIES (US) 1996-08-06 US disclosed
US-5468646-A Chemiluminescent acridinium salts ABBOTT LABORATORIES (US) 1995-11-21 US disclosed
EP-0273115-B1 Chemiluminescent acridinium and phenanthridinium salts ABBOTT LAB (US) 1994-09-07 EP disclosed