SCHEMBL8153200

SCHEMBL8153200

C=CC(=O)NCC/C(=C\c1ccc([C@H]2CC[C@H](CC)CC2)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ ITK Q08881 1/20 0.32
▸ ZDHHC20 Q5W0Z9 1/20 0.32
▸ ZDHHC2 Q9UIJ5 1/20 0.32
▸ CCR2 P41597 5/20 0.31
▸ DPEP1 P16444 1/20 0.31
▸ DGAT1 O75907 4/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL8554299 1.00 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP2C9F13A1
SCHEMBL8550400 0.83 TGM2 (0.38) ALDH1A1F13A1TGM2TGM1ITK
SCHEMBL8547481 0.78 TGM2 (0.43) ALDH1A1LMNAMAPTCYP2C9TGM2
SCHEMBL8555056 0.76 THRB (0.43) ALDH1A1CYP2C9TGM2ZDHHC20ZDHHC2
SCHEMBL8150628 0.76 CA1 (0.33) ALDH1A1LMNAMAPTCYP2C9DPEP1
SCHEMBL8551807 0.75 TGM2 (0.43) ALDH1A1LMNAMAPTTGM2DPEP1
SCHEMBL8546748 0.75 ESR2 (0.36) ALDH1A1LMNA
SCHEMBL8554406 0.75 ACACB (0.43) ALDH1A1LMNAMAPT
SCHEMBL8546509 0.75 TGM2 (0.47) ALDH1A1LMNAMAPTTGM2
SCHEMBL8550291 0.72 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
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