SCHEMBL8377237

SCHEMBL8377237

Cc1ccccc1-c1cc(C)c(O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ALDH1A1 P00352 2/20 0.50
MCL1 Q07820 1/20 0.49
ESR2 Q92731 1/20 0.45
TTR P02766 1/20 0.45
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HTR7 P34969 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ACHE P22303 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PDK2 Q15119 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL27711567 0.84 CA1 (0.54) CA1CA2ALDH1A1MCL1ESR2
SCHEMBL9742749 0.84 MCL1 (0.51) CA1CA2ALDH1A1MCL1ESR2
SCHEMBL27524726 0.84 ALDH1A1 (0.61) CA1CA2ALDH1A1TTRALOX5
SCHEMBL19897390 0.83 TSHR (0.50) CA1CA2ALDH1A1MCL1ESR2
Ethane SCHEMBL28092820 0.83 CA1 (0.52) CA1CA2ALDH1A1MCL1ESR2
Methane SCHEMBL27455003 0.83 CA1 (0.52) CA1CA2ALDH1A1ESR2TTR
SCHEMBL11783057 0.82 ABL1 (0.54) CA1CA2ALDH1A1MCL1ESR2
SCHEMBL26346270 0.82 ABL1 (0.59) CA1CA2ALDH1A1MCL1ESR2
SCHEMBL2026463 0.81 CA1 (0.50) CA1CA2ALDH1A1TTRALOX5
SCHEMBL30158721 0.78 MCL1 (0.64) CA1CA2MCL1ESR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659801-B1 Polyimide MITSUI CHEMICALS INC (JP) 1999-03-10 EP disclosed
US-5501936-A IMPROVED RESOLUTION OF VERY FINE PATTERNS TOKYO OHKA KOGYO CO., LTD. (JP) 1996-03-26 US disclosed
US-5484880-A HEAT RESISTANT POLYMERS FOR APPLIANCES AND INJECTION MOLDED ARTICLES OR FILMS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-16 US disclosed
EP-0659801-A1 Polyimide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-06-28 EP disclosed