SCHEMBL608200

SCHEMBL608200

CCN(CC)Sc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
ALDH1A3 P47895 5/20 0.50
ALDH3A1 P30838 4/20 0.50
CYP2A6 P11509 4/20 0.43
TYR P14679 1/20 0.43
CYP2A13 Q16696 1/20 0.43
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL611088 0.78 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR
SCHEMBL9147481 0.76 TDP1 (0.38) ALDH1A1CYP2A6MAPTHPGD
SCHEMBL24398866 0.74 ATM (0.39) ALDH1A1CYP2A6LMNASMN1; SMN2KDM4E
SCHEMBL710758 0.74 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR
SCHEMBL19903270 0.74 MAOA (0.39) ALDH1A1CYP2A6HSD17B10LMNAHPGD
SCHEMBL611208 0.73 HPGD (0.46) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL18602990 0.73 SMN1; SMN2 (0.42) ALDH1A1HSD17B10LMNAMAPTHPGD
SCHEMBL8595279 0.71 ALDH1A1 (0.54) ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR
SCHEMBL20323528 0.71 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL195687 0.70 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed