SCHEMBL10490976

SCHEMBL10490976

COc1ccccc1C1c2cccc(O)c2C(=O)c2c(O)cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
EGFR P00533 1/20 0.53
PIM1 P11309 1/20 0.53
P4HB P07237 1/20 0.48
TP53 P04637 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 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
SCHEMBL10494831 0.87 MEN1 (0.47) MEN1KMT2AEGFRPIM1CA1
SCHEMBL10490935 0.85 HDAC4 (0.46) MEN1KMT2AEGFRPIM1CA1
SCHEMBL8569425 0.79 MEN1 (0.48) MEN1KMT2AEGFRPIM1P4HB
SCHEMBL10490941 0.77 NPC1 (0.47) P4HBTP53MAPTHPGD
SCHEMBL9421974 0.75 ALDH1A1 (0.47) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL10490943 0.75 HDAC4 (0.47) P4HBCA1CA2TSHRKDM4E
SCHEMBL8382011 0.72 MEN1 (0.84) MEN1KMT2AEGFRPIM1P4HB
SCHEMBL8559808 0.72 ALDH1A1 (0.52) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL14113261 0.72 MAOA (0.56) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL10490946 0.71 KMT2A (0.53) MEN1KMT2AEGFRPIM1P4HB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843097-A ANTITUMOR AGENTS, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-27 US claimed
US-4889865-A COSMETICS, SKIN DISORDERS, ANTICARCINOGENIC AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-12-26 US disclosed
US-4843097-A ANTITUMOR AGENTS, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-27 US disclosed