SCHEMBL21758832

SCHEMBL21758832

C=C(/C=C/c1ccccc1)CCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ PLIN1 O60240 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ PLIN5 Q00G26 2/20 0.41
▸ ABHD5 Q8WTS1 2/20 0.41
▸ TNKS O95271 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL17615394 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL23981734 0.74 RAB9A (0.42) ALDH1A1MAPTSMN1; SMN2CYP1B1NPC1
SCHEMBL9043653 0.74 HDAC3 (0.49) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL21758829 0.72 LMNA (0.42) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL9715784 0.72 EGFR (0.51) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL31678901 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL3437188 0.72 MAPT (0.48) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL3951014 0.72 MAPT (0.48) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL1232441 0.72 MAPT (0.48) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL20192382 0.72 MAPT (0.48) ALDH1A1LMNAMAPTHDAC3HDAC4

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
WO-2021221760-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS NORTHWESTERN UNIVERSITY (US) 2021-11-04 — — WO disclosed
WO-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 — — WO disclosed
Send feedback