SCHEMBL2969822

SCHEMBL2969822

COCOc1cc(-c2ccc(C)cc2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1416805 0.86 ALDH1A1 (0.48) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL1417187 0.86 CYP1A2 (0.38) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL20286381 0.86 RAB9A (0.52) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL789255 0.86 CYP1A2 (0.38) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL8378803 0.86 CHRM4 (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28753858 0.84 LOXL2 (0.40) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL1417155 0.84 MAPT (0.37) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL2969884 0.84 MAPT (0.37) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL27613451 0.81 MAPT (0.36) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL1416919 0.81 ADRB2 (0.44) CYP1A2CYP19A1CYP2C9CYP2C19HPGD

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-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 EP disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed