SCHEMBL9124733

SCHEMBL9124733

COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL9124580 0.80 BCHE (0.46) LMNACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL9123812 0.78 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9125178 0.75 NPC1 (0.37) LMNACYP2C9FFAR1KMT2AMEN1
SCHEMBL9123775 0.75 NPC1 (0.46) ALDH1A1LMNACYP1A2HPGDSMN1; SMN2
SCHEMBL7931866 0.75 XDH (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9121903 0.74 ALDH1A1 (0.41) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL4432541 0.74 KMT2A (0.50) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL1515880 0.73 FFAR1 (0.40) ALDH1A1FFAR1POLBL3MBTL1KMT2A
SCHEMBL10370934 0.71 MAPT (0.42) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL7449792 0.70 KMT2A (0.50) ALDH1A1LMNAHPGDHTTSMN1; SMN2

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
Send feedback