SCHEMBL7596090

SCHEMBL7596090

S[CH]CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL10381479 0.85 ALDH1A1 (0.48) SIGMAR1MAOAMAOBHTR2AIDO1
Hydrochloric Acid SCHEMBL11310548 0.80 MAOB (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL3334933 0.80 SIGMAR1 (0.52) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL867076 0.78 ALDH1A1 (0.52) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL28353517 0.76 HTR2A (0.64) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL3591598 0.76 HDAC3 (0.50) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL4896504 0.76 HDAC3 (0.50) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL8677391 0.76 SIGMAR1 (0.48) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL4897344 0.76 SIGMAR1 (0.48) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL22319078 0.76 SIGMAR1 (0.48) SIGMAR1MAOAMAOBHTR2AIDO1

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-0844269-B1 BLOCK COPOLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS KATAOKA KAZUNORI (JP) 2002-10-23 — — EP disclosed
US-5929177-A LIVING POLYMER WITH HYDROPHILIC, HYDROPHOBIC SEGMENTS Kataoka, Kazunori (JP) 1999-07-27 — — US disclosed
EP-0844269-A1 BLOCK POLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS Kataoka, Kazunori (JP) 1998-05-27 — — EP disclosed
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 — — EP disclosed
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