SCHEMBL9301221

SCHEMBL9301221

Cc1cc(Cl)ccc1OCC(O)(c1cccnc1)C1(Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ CYP19A1 P11511 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP3A4 P08684 4/20 0.38
▸ CYP3A5 P20815 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL9301509 0.89 MEN1 (0.44) LMNACYP19A1SMN1; SMN2CYP3A4CYP3A5
SCHEMBL9300288 0.82 CYP19A1 (0.49) CYP19A1CYP3A4CYP3A5
SCHEMBL9372769 0.81 LMNA (0.48) LMNACYP19A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL9300266 0.81 NOTUM (0.44) LMNACYP19A1SMN1; SMN2CYP3A4CYP3A5
SCHEMBL9301005 0.78 CYP19A1 (0.46) CYP19A1KDM4ECYP3A4CYP3A5CYP2C19
SCHEMBL934753 0.74 CYP19A1 (0.41) LMNACYP19A1CYP3A4CYP3A5CYP2C9
SCHEMBL9372057 0.70 CYP19A1 (0.49) LMNACYP19A1SMN1; SMN2CYP3A4CYP3A5
SCHEMBL10834654 0.69 CYP19A1 (0.42) LMNACYP19A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL2625771 0.65 SSTR4 (0.49) LMNAKDM4ESMN1; SMN2CYP3A4CYP1A2
SCHEMBL9564746 0.65 CYP19A1 (0.42) CYP19A1CYP3A4CYP3A5

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-5356899-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 — — US claimed
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