SCHEMBL7947654

SCHEMBL7947654

CC(C)=CCc1cc(Br)ccc1Sc1ccc(Br)cc1CC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.46
▸ SLC6A2 P23975 4/20 0.46
▸ SLC6A3 Q01959 1/20 0.43
▸ HTT P42858 3/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ AKR1B10 O60218 2/20 0.34
▸ AKR1B1 P15121 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34

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
SCHEMBL14139155 0.79 HTT (0.60) HTTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL16827451 0.74 PYCR1 (0.43) SLC6A4HTTKMT2AHPGDMEN1
SCHEMBL12496273 0.74 PYCR1 (0.43) HTTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL7191364 0.72 AKR1B10 (0.53) HTTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL11128804 0.67 TRPA1 (0.42) KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7820988 0.67 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL27259071 0.66 TAAR1 (0.46) SMN1; SMN2
SCHEMBL9105772 0.65 HTT (0.35) HTTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL4439253 0.65 ERN1 (0.45) SLC6A4SLC6A2CYP1A2CYP3A4CYP2C9
SCHEMBL11127533 0.64 TSHR (0.43) HTTKMT2AHPGDMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 — — US disclosed
Send feedback