SCHEMBL11580641

SCHEMBL11580641

CCN(CC)C(=O)N(C)c1cc(O)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ RECQL P46063 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RGS12 O14924 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL11583035 0.76 HSD17B1 (0.41) HPGDHSD17B1HSD17B2RECQLCYP3A4
SCHEMBL20170484 0.75 HSD17B3 (0.42) HPGDHSD17B1HSD17B2ALDH1A1CYP1A2
SCHEMBL21678069 0.73 BAZ2B (0.43) HPGDHSD17B1RECQLCYP3A4TSHR
SCHEMBL11316146 0.73 ALDH1A1 (0.47) HPGDRECQLCYP3A4TSHRLMNA
SCHEMBL28305611 0.72 CYP3A4 (0.44) HPGDRECQLCYP3A4TSHRLMNA
SCHEMBL8956467 0.70 MCL1 (0.47) HPGDRECQLCYP3A4TSHRLMNA
Methylamine SCHEMBL11580647 0.69 HPGD (0.47) HPGDRECQLCYP3A4TSHRLMNA
SCHEMBL11672356 0.68 ACHE (0.46) HPGDRECQLCYP3A4TSHRLMNA
SCHEMBL21185147 0.67 CYP3A4 (0.43) RECQLCYP3A4TSHRMEN1KMT2A
SCHEMBL11581621 0.66 CYP3A4 (0.58) HPGDRECQLCYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US claimed
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US disclosed
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US disclosed
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US disclosed
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