SCHEMBL28469201

SCHEMBL28469201

C=Cc1ccccc1C.CCCC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CXCR5 P32302 2/20 0.37
HTR2A P28223 3/20 0.37
TLR8 Q9NR97 1/20 0.35
TSHR P16473 2/20 0.35
IDO1 P14902 1/20 0.35
PAM P19021 1/20 0.35

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
SCHEMBL2376149 0.91 SIGMAR1 (0.38) SIGMAR1ALDH1A1KDM4EAPOBEC3ARAB9A
SCHEMBL7643574 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EAPOBEC3ARAB9AAPOBEC3G
SCHEMBL6543156 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EAPOBEC3ARAB9AAPOBEC3G
SCHEMBL9244066 0.83 PDE5A (0.41) SIGMAR1ALDH1A1KDM4EAPOBEC3ARAB9A
SCHEMBL308354 0.83 ALDH1A1 (0.38) SIGMAR1ALDH1A1KDM4EAPOBEC3ARAB9A
SCHEMBL108128 0.81 SIGMAR1 (0.53) SIGMAR1HTR2ATLR8IDO1PAM
SCHEMBL78219 0.81 SIGMAR1 (0.53) SIGMAR1HTR2ATLR8IDO1PAM
Benzene SCHEMBL1226215 0.81 SIGMAR1 (0.53) SIGMAR1HTR2ATLR8IDO1PAM
Benzene SCHEMBL1226219 0.81 SIGMAR1 (0.53) SIGMAR1HTR2ATLR8IDO1PAM
SCHEMBL28490848 0.81 SIGMAR1 (0.53) SIGMAR1HTR2ATLR8IDO1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105273204-B Block copolymers, their preparation and their use 科腾聚合物美国有限责任公司 2020-10-16 CN disclosed