SCHEMBL7436670

SCHEMBL7436670

O=C(c1ccc(Cl)cc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EPHX2 P34913 1/20 0.43
LTA4H P09960 2/20 0.42
MAPT P10636 1/20 0.41
PRMT5 O14744 2/20 0.41
POLB P06746 1/20 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
SCHEMBL7435319 0.92 EPHX1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7438480 0.90 LMNA (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7438375 0.90 DRD3 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7440526 0.88 GAA (0.46) NPC1RAB9ASMN1; SMN2KMT2AEPHX2
SCHEMBL7435567 0.88 TEAD1 (0.46) TSHRMGLLMEN1KMT2AEPHX2
SCHEMBL7434127 0.87 ALOX5 (0.47) NPC1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL7438639 0.87 ALDH1A1 (0.47) NPC1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7430833 0.86 GAA (0.43) NPC1SMN1; SMN2KMT2ALTA4HMAPT
SCHEMBL7432904 0.86 LTA4H (0.44) SMN1; SMN2MGLLKMT2ALTA4HMAPT
SCHEMBL7431389 0.85 HPGD (0.51) TSHRSMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed