SCHEMBL11900441

SCHEMBL11900441

O=C(Cc1ccccc1)Nc1cccc2c(NC(=O)Cc3ccccc3)cccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HPGD P15428 3/20 0.70
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
EPHX2 P34913 1/20 0.61
KMT2A Q03164 5/20 0.59
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PARP14 Q460N5 1/20 0.59
GPR35 Q9HC97 1/20 0.59
ATM Q13315 1/20 0.59
HTT P42858 2/20 0.57
GALR3 O60755 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.57
KCNQ2 O43526 1/20 0.56
PKM P14618 1/20 0.56
MCL1 Q07820 1/20 0.56
MEN1 O00255 2/20 0.55

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
SCHEMBL27841831 0.91 POLB (0.68) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL29511368 0.81 HPGD (0.67) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL4433540 0.81 HPGD (0.67) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL11900781 0.80 ROCK2 (0.63) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL18347702 0.80 ALDH1A1 (0.51) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL1591494 0.80 P2RX7 (0.66) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL8609928 0.80 HPGD (0.65) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL30117933 0.80 KMT2A (0.77) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL15437984 0.80 KMT2A (0.77) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL4040223 0.80 ALDH1A1 (0.82) ALDH1A1HPGDLMNASMN1; SMN2KDM4E

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
US-8377530-B2 Polyesters with low molecular weight additives for improved gas barrier properties EASTMAN CHEMICAL COMPANY (US) 2013-02-19 US claimed
US-20120199515-A1 POLYESTERS WITH LOW MOLECULAR WEIGHT ADDITIVES FOR IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2012-08-09 US claimed
US-8377530-B2 Polyesters with low molecular weight additives for improved gas barrier properties EASTMAN CHEMICAL COMPANY (US) 2013-02-19 US disclosed
US-20120199515-A1 POLYESTERS WITH LOW MOLECULAR WEIGHT ADDITIVES FOR IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2012-08-09 US disclosed