SCHEMBL22270885

SCHEMBL22270885

CCCc1ccc(CC(Nc2ccc(-c3nccnc3Oc3ccccc3Cl)cc2)=C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ P2RX4 Q99571 1/20 0.32
▸ TRPV1 Q8NER1 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL22271062 0.86 LPAR1 (0.35) RORCKDR
SCHEMBL22270563 0.84 WNT3A (0.39) RORCKDRTP53MAPTLMNA
SCHEMBL22270886 0.82 L3MBTL1 (0.35) ALDH1A1POLBMAPTLMNAPDE10A
SCHEMBL22270671 0.82 RORC (0.39) RORCKDRSMN1; SMN2PDE10A
SCHEMBL22270668 0.82 KDR (0.36) RORCALDH1A1POLBKDRTRPV1
SCHEMBL22270537 0.78 MAPT (0.36) ALDH1A1KDRTRPV1TP53MAPT
SCHEMBL22270880 0.78 LMNA (0.37) ALDH1A1KDRTRPV1TP53MAPT
SCHEMBL22271066 0.75 RORC (0.35) RORCMAPT
SCHEMBL22270887 0.75 KDM4E (0.40) ALDH1A1TRPV1MAPTSMN1; SMN2
SCHEMBL22271048 0.72 PDGFRB (0.41) ALDH1A1TP53MAPTLMNASMN1; SMN2

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
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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