SCHEMBL8579754

SCHEMBL8579754

CCCc1ccc(Oc2ccc(N)cc2)c(C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.44
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR5 O14804 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8579683 0.89 ACACB (0.42) ACACBCYP19A1ALDH1A1RAB9ATAAR5
SCHEMBL8581018 0.88 TSHR (0.41) CYP19A1ALDH1A1RAB9ATSHRTDP1
SCHEMBL8776923 0.87 GAA (0.41) CYP19A1ALDH1A1TSHRTDP1P2RX3
SCHEMBL7263477 0.86 TAAR5 (0.48) ACACBTAAR5TAAR1MAPT
SCHEMBL9298705 0.81 ALDH1A1 (0.46) ALDH1A1RAB9ATSHRTDP1P2RX3
SCHEMBL31457302 0.81 ALDH1A1 (0.46) ALDH1A1RAB9ATSHRTDP1P2RX3
SCHEMBL8581639 0.81 TSHR (0.47) ACACBCYP19A1ALDH1A1RAB9ATAAR5
SCHEMBL8581645 0.81 CYP19A1 (0.45) ACACBCYP19A1ALDH1A1RAB9ATAAR5
SCHEMBL8415231 0.81 CYP19A1 (0.45) ACACBCYP19A1ALDH1A1RAB9ATAAR5
SCHEMBL8578368 0.79 CYP19A1 (0.44) ACACBCYP19A1ALDH1A1RAB9ATAAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744203-A POLYMER MIXTURES OF POLYURETHANES, POLYESTERS, POLYIMIDES, POLYCARBONATES AND POLYUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed