SCHEMBL8346397

SCHEMBL8346397

CCCCC(CC)COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
ALDH1A1 P00352 6/20 0.47
TSHR P16473 5/20 0.47
LMNA P02545 4/20 0.47
CYP3A4 P08684 4/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
BLM P54132 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
RGS12 O14924 2/20 0.47
GMNN O75496 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP2C19 P33261 2/20 0.47
THPO P40225 2/20 0.47

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
SCHEMBL10644154 0.84 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL17407576 0.81 PTP4A1 (0.68) EGFRALDH1A1TSHRLMNACYP3A4
SCHEMBL3242297 0.81 PTP4A1 (0.68) EGFRALDH1A1TSHRLMNACYP3A4
SCHEMBL3242301 0.81 PTP4A1 (0.68) EGFRALDH1A1TSHRLMNACYP3A4
SCHEMBL7109914 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL7109919 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL2155616 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL4139254 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL4139257 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL5047159 0.78 ALDH1A1 (0.57) ALDH1A1TSHRLMNACYP3A4MEN1

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-5935563-A SUNSCREEN AGENT; 3,5-DIALKYL SUBSTITUTED 4-HYDROXYBENZYLIDENECYANOACETATE DERIVATIVE USED AS A COSMETIC BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed