SCHEMBL9126293

SCHEMBL9126293

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2NC(=O)C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CETP P11597 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL9124942 0.83 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL9126492 0.77 KMT2A (0.48) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9122007 0.74 KMT2A (0.65) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL9521940 0.74 EPHX2 (0.42) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9122648 0.74 TDP1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9126018 0.74 KMT2A (0.64) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8939637 0.73 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8939658 0.73 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8939608 0.73 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9125034 0.73 EGFR (0.51) SMN1; SMN2MEN1KMT2A

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-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 US disclosed
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed
US-5112867-A Osteoporosis Treatment KYOWA HAKKO GOGYO CO., LTD. (JP) 1992-05-12 US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 EP disclosed