SCHEMBL10345307

SCHEMBL10345307

C=C(C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AKR1B1 P15121 1/20 0.50

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
SCHEMBL7832007 0.86 MAPT (0.67) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10921971 0.82 MAPT (0.65) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10922873 0.82 MAPT (0.65) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL8797606 0.79 ALDH1A1 (0.64) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10922029 0.77 TTR (0.55) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL9218089 0.76 MAPT (0.60) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10924893 0.76 ALDH1A1 (0.56) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10824721 0.76 MAPT (0.59) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10925162 0.76 MAPT (0.58) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL655741 0.76 MAPT (1.00) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2

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-4923892-A DOXEPIN DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1990-05-08 US disclosed
EP-0214779-B1 TRICYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP disclosed
US-4871865-A ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1989-10-03 US disclosed
EP-0214779-A1 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-18 EP disclosed