SCHEMBL9869864

SCHEMBL9869864

COc1cc(C(=O)C=C(C)N(C)C)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.53
ABCB1 P08183 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
TNFRSF1A P19438 3/20 0.49
GAA P10253 2/20 0.48
TUBB1 Q9H4B7 4/20 0.48
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46

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
SCHEMBL9869860 1.00 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19ABCG2ABCB1
SCHEMBL9870153 0.83 CYP2C19 (0.65) CYP1A2CYP3A4CYP2C19ABCG2ABCB1
SCHEMBL9870146 0.83 CYP2C19 (0.65) CYP1A2CYP3A4CYP2C19ABCG2ABCB1
SCHEMBL177152 0.80 ABCG2 (0.55) ABCG2ABCB1POLBMEN1LMNA
SCHEMBL177153 0.80 ABCG2 (0.55) ABCG2ABCB1POLBMEN1LMNA
SCHEMBL7376402 0.75 TUBB4A (0.51) CYP3A4ABCG2MEN1LMNAKMT2A
SCHEMBL374153 0.75 ABCG2 (0.62) ABCG2ABCB1POLBTNFRSF1AGAA
SCHEMBL783240 0.75 MAPT (0.69) ABCG2ABCB1POLBLMNAHPGD
SCHEMBL805335 0.75 MAPT (0.69) ABCG2ABCB1POLBLMNAHPGD
SCHEMBL27963427 0.75 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ABCB1MEN1

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-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US disclosed