SCHEMBL4655208

SCHEMBL4655208

CCC(C)CCCC(C)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ SHBG P04278 1/20 0.35
▸ CPB2 Q96IY4 2/20 0.35
▸ REN P00797 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ METAP2 P50579 1/20 0.31

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
SCHEMBL4655235 0.98 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKSHBG
SCHEMBL4653068 0.90 MAPT (0.36) —
SCHEMBL9539707 0.86 LMNA (0.46) CYP1A2CTSLCTSBCTSKCPB2
SCHEMBL28022570 0.86 LMNA (0.46) CYP1A2CTSLCTSBCTSKCPB2
SCHEMBL2422889 0.85 SHBG (0.42) CYP1A2CTSLCTSBCTSKSHBG
SCHEMBL19038153 0.84 CYP1A2 (0.48) CYP1A2CTSLCTSBCTSKCPB2
SCHEMBL19058762 0.83 CYP1A2 (0.46) CYP1A2CTSLCTSBCTSKCPB2
SCHEMBL16411251 0.83 SHBG (0.39) CYP1A2CTSLCTSBCTSKSHBG
SCHEMBL22500128 0.82 ALDH1A1 (0.47) CYP1A2CTSLCTSBCTSKREN
SCHEMBL11677487 0.82 ALDH1A1 (0.47) CYP1A2CTSLCTSBCTSKREN

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
EP-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 — — EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 — — WO disclosed
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