SCHEMBL7417014

SCHEMBL7417014

O=C(OC1CCc2[nH]c3c(OCc4ccccc4)cccc3c2C1)c1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SRD5A2 P31213 1/20 0.37
PIK3CG P48736 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
PRMT5 O14744 1/20 0.35
EGFR P00533 1/20 0.35
CHRNA7 P36544 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
APP P05067 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL7408757 0.79 CHRNA7 (0.39) PRMT5EGFRCHRNA7
SCHEMBL7412807 0.76 CHRNA7 (0.41) CHRNA7
SCHEMBL7404609 0.76 APOBEC3A (0.42) CHRNA7
SCHEMBL7408135 0.74 SSTR3 (0.39) CHRNA7
SCHEMBL11347383 0.73 CHRM2 (0.43) PIK3CGADORA3
SCHEMBL7407777 0.73 NR2E1 (0.53) PRMT5EGFRCHRNA7
Hydrochloric Acid SCHEMBL7410820 0.72 CHRM2 (0.42) PIK3CGADORA3
SCHEMBL7409033 0.72 GAA (0.39) PRMT5EGFR
Hydrochloric Acid SCHEMBL7417242 0.72 NR2E1 (0.52) PRMT5EGFRCHRNA7
SCHEMBL7413413 0.72 MCL1 (0.39) CHRNA7

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-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed