SCHEMBL11566919

SCHEMBL11566919

C=CC=CN(CC=C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.33
DNM1 Q05193 3/20 0.32
FAAH O00519 1/20 0.30

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
SCHEMBL11566916 1.00 TSHR (0.35) TSHRALDH1A1DNM1FAAH
SCHEMBL9821163 0.88 DNM1 (0.37) TSHRALDH1A1DNM1
SCHEMBL11588990 0.88 DNM1 (0.37) TSHRALDH1A1DNM1
SCHEMBL1036387 0.80 TSHR (0.38) TSHRALDH1A1DNM1FAAH
SCHEMBL18287020 0.77
SCHEMBL9006030 0.76
SCHEMBL88105 0.76 ADH1C (0.40) TSHRALDH1A1DNM1FAAH
SCHEMBL11382184 0.74 ADH1C (0.43) TSHRALDH1A1DNM1FAAH
SCHEMBL9067688 0.74 ADH1C (0.43) TSHRALDH1A1DNM1FAAH
SCHEMBL4042668 0.74 TSHR (0.44) TSHRALDH1A1DNM1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179572-A CHEMICAL INTERMEDIATES CHON CORPORATION (US) 1979-12-18 US disclosed
US-4179572-A CHEMICAL INTERMEDIATES CHON CORPORATION (US) 1979-12-18 US disclosed
US-4179572-A CHEMICAL INTERMEDIATES CHON CORPORATION (US) 1979-12-18 US disclosed
US-4105853-A FOR USE IN STEREO-CONTROLLED SYNTHESIS OF SUBSTITUTED DECAHYDROQUINOLINES AND PUMILIOTOXIN C CHON CORPORATION (US) 1978-08-08 US disclosed
US-4105853-A FOR USE IN STEREO-CONTROLLED SYNTHESIS OF SUBSTITUTED DECAHYDROQUINOLINES AND PUMILIOTOXIN C CHON CORPORATION (US) 1978-08-08 US disclosed
US-4105853-A FOR USE IN STEREO-CONTROLLED SYNTHESIS OF SUBSTITUTED DECAHYDROQUINOLINES AND PUMILIOTOXIN C CHON CORPORATION (US) 1978-08-08 US disclosed
US-4065496-A ACYLATION OF CONJUGATED AZOMETHINE CHON CORPORATION (US) 1977-12-27 US disclosed
US-4065496-A ACYLATION OF CONJUGATED AZOMETHINE CHON CORPORATION (US) 1977-12-27 US disclosed
US-4065496-A ACYLATION OF CONJUGATED AZOMETHINE CHON CORPORATION (US) 1977-12-27 US disclosed