SCHEMBL9709470

SCHEMBL9709470

C=CC(=C)CC/C=C(\C)CCCC(C)CCCC(=C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PTPN1 P18031 2/20 0.45
KDM1A O60341 1/20 0.41
GLRA3 O75311 2/20 0.34
SQLE Q14534 3/20 0.34
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SNCA P37840 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL9709473 1.00 TSHR (0.49) TSHRPTPN1KDM1AGLRA3SQLE
SCHEMBL9017101 0.89 PTPN1 (0.59) TSHRPTPN1KDM1AKMT2APTGS1
SCHEMBL9017099 0.89 PTPN1 (0.59) TSHRPTPN1KDM1AKMT2APTGS1
SCHEMBL10922177 0.88 TSHR (0.59) TSHRPTPN1KDM1ASQLEKMT2A
SCHEMBL10926749 0.88 TSHR (0.59) TSHRPTPN1KDM1ASQLEKMT2A
SCHEMBL19638663 0.87 TSHR (0.59) TSHRKDM1ASQLEKMT2A
SCHEMBL19638662 0.87 TSHR (0.59) TSHRKDM1ASQLEKMT2A
SCHEMBL9017161 0.85 KDM1A (0.55) TSHRPTPN1KDM1ASQLEKMT2A
SCHEMBL9017166 0.85 KDM1A (0.55) TSHRPTPN1KDM1ASQLEKMT2A
SCHEMBL9020038 0.84 KDM1A (0.58) TSHRPTPN1KDM1ASQLEKMT2A

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
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 US disclosed