SCHEMBL10403269

SCHEMBL10403269

O=CC(CN1CCCC1)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 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
SCHEMBL10403564 0.84 CHRNA7 (0.40) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL10403268 0.74 ALDH1A1 (0.40) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL23964577 0.73 SMN1; SMN2 (0.38) ALDH1A1HTTHSD17B10RAB9APAX8
SCHEMBL809550 0.72 ALDH1A1 (0.41) ALDH1A1HTTHSD17B10PAX8SMN1; SMN2
SCHEMBL10403562 0.71 CHRNA7 (0.40) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL1894871 0.70 EPHX1 (0.44) SIGMAR1MEN1KMT2A
SCHEMBL809553 0.67 PPARG (0.43) PAX8SMN1; SMN2TSHR
SCHEMBL11534852 0.67 ALDH1A1 (0.47) ALDH1A1HTTHSD17B10RAB9AATM
SCHEMBL11594651 0.66 KDM4E (0.45) ALDH1A1KDM4ECYP2D6TSHRHIF1A
SCHEMBL809514 0.66 LMNA (0.41) ALDH1A1PAX8SMN1; SMN2SIGMAR1MEN1

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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