SCHEMBL9003299

SCHEMBL9003299

Cc1cc(C(C)(C)c2ccc(O)c(C(=O)O)c2)ccc1OCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 4/20 0.44
CASP6 P55212 1/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 7/20 0.42
ESR1 P03372 3/20 0.42
MCL1 Q07820 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8973123 0.89 KDM4E (0.52) ALDH1A1POLBKDM4EMCL1NPC1
SCHEMBL9003307 0.89 ALDH1A1 (0.47) ALDH1A1POLBCASP6KDM4EMCL1
SCHEMBL9003613 0.89 ALDH1A1 (0.47) ALDH1A1POLBCASP6PPARGPPARD
SCHEMBL9003606 0.89 ALDH1A1 (0.47) ALDH1A1POLBCASP6PPARGPPARD
SCHEMBL9003510 0.87 MCL1 (0.50) ALDH1A1POLBKDM4EMCL1NPC1
SCHEMBL9003763 0.87 ALDH1A1 (0.45) ALDH1A1POLBCASP6KDM4EMCL1
SCHEMBL9003245 0.86 ALDH1A1 (0.52) ALDH1A1POLBCASP6KDM4EMCL1
SCHEMBL9003407 0.86 ALDH1A1 (0.44) ALDH1A1POLBCASP6KDM4EMCL1
SCHEMBL7759210 0.86 KDM4E (0.49) ALDH1A1POLBKDM4EMCL1NPC1
SCHEMBL9003579 0.85 KDM4E (0.53) ALDH1A1POLBKDM4EMCL1NPC1

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-0424914-B1 Recording material NEW OJI PAPER CO LTD (JP) 1996-09-25 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5096872-A Colorless basic dye reacts with salicylic acid derivative to form colored image, paper KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-17 US disclosed
EP-0424914-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1991-05-02 EP disclosed