SCHEMBL9003501

SCHEMBL9003501

CC(C)(c1ccc(OCCCCOc2ccc(Cl)cc2)cc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MCL1 Q07820 2/20 0.46
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.45
PPARA Q07869 2/20 0.44
BCL2 P10415 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42

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
SCHEMBL9677311 0.91 TDP1 (0.43) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL9678167 0.90 TDP1 (0.44) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL9003579 0.90 KDM4E (0.53) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9003634 0.89 KDM4E (0.49) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9003610 0.89 ALDH1A1 (0.40) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL9675505 0.88 TP53 (0.53) MCL1
SCHEMBL9678161 0.88 TP53 (0.53) MCL1
SCHEMBL9678172 0.88 TP53 (0.53) MCL1
SCHEMBL9003309 0.88 KDM4E (0.53) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9003655 0.86 CSNK2A1 (0.48) MCL1KDM4EALDH1A1MEN1KMT2A

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