SCHEMBL11209467

SCHEMBL11209467

CC(=O)CCCC(C)CCCC(C)CCC=C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.49
PTPN1 P18031 2/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38

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
SCHEMBL1472117 0.98 ALOX15 (0.57) ALOX15ALDH1A1USP2PTPN1TSHR
SCHEMBL9578859 0.98 ALOX15 (0.57) ALOX15ALDH1A1USP2PTPN1TSHR
SCHEMBL18953039 0.90 KDM1A (0.53) ALOX15ALDH1A1KDM4EATMKDM1A
SCHEMBL14236787 0.89 KDM1A (0.51) ALOX15ALDH1A1USP2PTPN1KDM1A
SCHEMBL14236786 0.89 KDM1A (0.51) ALOX15ALDH1A1USP2PTPN1KDM1A
SCHEMBL14236852 0.89 KDM1A (0.51) ALOX15ALDH1A1USP2PTPN1KDM1A
SCHEMBL16977250 0.86 ALOX15 (0.61) ALOX15ALDH1A1USP2TSHRKDM4E
SCHEMBL7628581 0.86 KDM1A (0.53) ALOX15ALDH1A1USP2PTPN1KDM1A
SCHEMBL11551085 0.86 KDM1A (0.53) ALOX15ALDH1A1USP2PTPN1KDM1A
SCHEMBL14236826 0.86 KDM1A (0.53) ALOX15ALDH1A1USP2PTPN1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034804-B1 PROCESS FOR THE PREPARATION OF SUPERIOR SATURATED KETONES BASF Aktiengesellschaft (DE) 1983-03-23 EP disclosed
EP-0034804-A2 Process for the preparation of superior saturated ketones BASF Aktiengesellschaft (DE) 1981-09-02 EP disclosed
US-3917710-A Preparation of phytone via the addition of dimethylketene to 4,8-dimethyl-12-oxotridecanal EASTMAN KODAK CO 1975-11-04 US disclosed