SCHEMBL7904172

SCHEMBL7904172

COc1ccc(C(=O)Cl)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
P2RX7 Q99572 4/20 0.48
CNR2 P34972 3/20 0.45
PPARG P37231 1/20 0.45
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
RARA P10276 1/20 0.44
HSPD1 P10809 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
EPHX2 P34913 2/20 0.43
S1PR1 P21453 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
SCHEMBL6878528 0.89 KMT2A (0.51) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL9622121 0.82 ALDH1A1 (0.53) KMT2ACNR2MEN1LMNANR1I2
SCHEMBL9622135 0.79 RARB (0.61) KMT2ACNR2MEN1LMNANR1I2
SCHEMBL6447663 0.79 CNR2 (0.50) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL3235386 0.77 KMT2A (0.44) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL4748043 0.76 KMT2A (0.43) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL9763566 0.76 KMT2A (0.43) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL11783889 0.75 ALDH1A1 (0.49) KMT2AP2RX7CNR2PPARGMEN1
SCHEMBL9125797 0.75 KMT2A (0.51) KMT2AP2RX7CNR2MEN1LMNA
SCHEMBL8839170 0.75 KMT2A (0.57) KMT2ACNR2MEN1LMNANR1I2

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-6194450-B1 KERATINIZATION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-02-27 US disclosed
US-5849798-A Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-12-15 US disclosed
US-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US disclosed
US-4927928-A SKIN DISORDERS, EYES, ANTITUMOR CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-05-22 US disclosed