SCHEMBL9713301

SCHEMBL9713301

CCCC(CC)CCCCCCC(C)I

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.36
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL10168042 0.83 ALDH1A1 (0.32) ALDH1A1TDP1CYP3A4TSHRCA2
Ammonia Solution, Strong SCHEMBL28631050 0.83 ALDH1A1 (0.46) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL6011899 0.81 LMNA (0.42) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4557001 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9033403 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL11331822 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5142042 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL3438481 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL648992 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9208146 0.80 LMNA (0.56) ALDH1A1TDP1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed