SCHEMBL7639416

SCHEMBL7639416

CCCCCCCCCCCCN(C)C(=O)c1ccccc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
HDAC6 Q9UBN7 2/20 0.44
HSP90AA1 P07900 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ICMT O60725 1/20 0.42
ALB P02768 1/20 0.42
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
JAK2 O60674 1/20 0.40
PAX8 Q06710 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL7634558 1.00 TSHR (0.51) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL7637320 0.86 THRA (0.43) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL7634258 0.85 POLR1A (0.45) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL10357466 0.82 TSHR (0.50) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL8964075 0.82 TSHR (0.50) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL5311374 0.81 MCHR1 (0.46) TSHRGAAHPGDCYP1A2TP53
SCHEMBL8202747 0.80 CHRM2 (0.48) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL10330500 0.80 KMT2A (0.58) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL9091405 0.79 TSHR (0.48) TSHRGAAHPGDCYP1A2HDAC6
SCHEMBL8963512 0.79 TSHR (0.48) TSHRGAAHPGDCYP1A2HDAC6

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
EP-0911320-B1 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2002-07-24 EP disclosed
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed
CN-1224712-A 1,2-Di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-08-04 CN disclosed
EP-0911320-A2 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 1999-04-28 EP disclosed