SCHEMBL28319985

SCHEMBL28319985

[CH2]C(CCCCC)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
CYP1A2 P05177 1/20 0.40
EPHX1 P07099 7/20 0.36
SIGMAR1 Q99720 2/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 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
SCHEMBL1524836 0.98 SHBG (0.40) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL9209093 0.98 SHBG (0.40) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL9204414 0.96 SHBG (0.37) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL1525515 0.96 SHBG (0.37) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL9205033 0.96 SHBG (0.37) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL6719652 0.96 SHBG (0.37) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL9206222 0.96 SHBG (0.37) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL7532640 0.94 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL5504178 0.94 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL10630372 0.92 EPHX1 (0.36) EPHX1TSHR

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-110139886-A Copolymer 加的夫大学学院咨询有限公司 2019-08-16 CN disclosed